Bis[4-(dimethyl-amino)pyridinium] tribromidochloridodimethyl-stannate(IV).

The Sn(IV) atom in the title salt, (C(7)H(11)N(2))(2)[SnBr(3)(CH(3))(2)Cl], lies on a center of inversion in a tetra-gonally compressed octa-hedron; two independent Br atoms share the same site as two independent chlorine atoms so that the anion effectively has one Cl and three Br atoms. The occupancies of the Br atoms are 0.721 (1) and 0.779 (1), and those of the Cl atoms are 0.279 (1) and 0.221 (1). The crystal structure involves N-H⋯halogen hydrogen bonds.

Related literature

For the isostructural bis­(4-dimethyl­amino­pyridinium) dibromido­dichloro­dimethyl­stannate(IV), see: Lo & Ng (2008 ▶).

Experimental

Crystal data

(C7H11N2)2[SnBr3(CH3)2Cl]

M = 670.29

Triclinic,

a = 7.3692 (2) Å

b = 8.6303 (1) Å

c = 9.5686 (2) Å

α = 96.902 (1)°

β = 106.546 (1)°

γ = 91.628 (1)°

V = 577.87 (2) Å3

Z = 1

Mo Kα radiation

μ = 6.42 mm−1

T = 100 (2) K

0.35 × 0.15 × 0.10 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.212, T max = 0.566 (expected range = 0.197–0.527)

7041 measured reflections

2623 independent reflections

2344 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.021

wR(F 2) = 0.061

S = 1.07

2623 reflections

122 parameters

4 restraints

H-atom parameters constrained

Δρmax = 0.89 e Å−3

Δρmin = −0.63 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2008 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808014669/sj2501sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808014669/sj2501Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

(C7H11N2)2[SnBr3(CH3)2Cl]	Z = 1
Mr = 670.29	F000 = 324
Triclinic, P1	Dx = 1.926 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71073 Å
a = 7.3692 (2) Å	Cell parameters from 3862 reflections
b = 8.6303 (1) Å	θ = 2.4–28.3º
c = 9.5686 (2) Å	µ = 6.42 mm−1
α = 96.902 (1)º	T = 100 (2) K
β = 106.546 (1)º	Prism, colorless
γ = 91.628 (1)º	0.35 × 0.15 × 0.10 mm
V = 577.87 (2) Å3

Bruker SMART APEX diffractometer	2623 independent reflections
Radiation source: fine-focus sealed tube	2344 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.022
T = 100(2) K	θmax = 27.5º
ω scans	θmin = 2.2º
Absorption correction: Multi-scan(SADABS; Sheldrick, 1996)	h = −9→8
Tmin = 0.212, Tmax = 0.566	k = −11→11
7041 measured reflections	l = −12→12

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.021	H-atom parameters constrained
wR(F2) = 0.061	w = 1/[σ2(Fo2) + (0.0363P)2] where P = (Fo2 + 2Fc2)/3
S = 1.07	(Δ/σ)max = 0.001
2623 reflections	Δρmax = 0.89 e Å−3
122 parameters	Δρmin = −0.63 e Å−3
4 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.5000	0.5000	0.5000	0.01608 (8)
Br1	0.50013 (5)	0.49555 (4)	0.78420 (3)	0.02259 (11)	0.7207 (11)
Br2	0.64681 (5)	0.21397 (3)	0.50475 (3)	0.02106 (10)	0.7793 (11)
Cl1	0.50013 (5)	0.49555 (4)	0.78420 (3)	0.02259 (11)	0.2793 (11)
Cl2	0.64681 (5)	0.21397 (3)	0.50475 (3)	0.02106 (10)	0.2207 (11)
N1	0.6543 (3)	0.1474 (3)	0.8573 (2)	0.0201 (5)
H1	0.6158	0.2122	0.7921	0.024*
N2	0.8485 (3)	−0.1517 (3)	1.1630 (2)	0.0221 (5)
C1	0.2173 (4)	0.3966 (3)	0.4268 (3)	0.0218 (6)
H1A	0.1467	0.4384	0.4941	0.033*
H1B	0.2201	0.2829	0.4250	0.033*
H1C	0.1550	0.4209	0.3276	0.033*
C2	0.6702 (4)	0.1943 (3)	1.0009 (3)	0.0228 (6)
H2	0.6368	0.2962	1.0297	0.027*
C3	0.7329 (4)	0.0981 (3)	1.1038 (3)	0.0207 (5)
H3	0.7430	0.1331	1.2039	0.025*
C4	0.7837 (4)	−0.0549 (3)	1.0634 (3)	0.0169 (5)
C5	0.7598 (4)	−0.0989 (3)	0.9112 (3)	0.0191 (5)
H5	0.7883	−0.2008	0.8774	0.023*
C6	0.6970 (4)	0.0029 (3)	0.8136 (3)	0.0215 (6)
H6	0.6828	−0.0286	0.7123	0.026*
C7	0.8693 (5)	−0.1024 (4)	1.3185 (3)	0.0307 (7)
H7A	0.9483	−0.0041	1.3512	0.046*
H7B	0.9297	−0.1832	1.3764	0.046*
H7C	0.7440	−0.0869	1.3323	0.046*
C8	0.9004 (4)	−0.3085 (3)	1.1218 (3)	0.0282 (6)
H8A	0.9901	−0.3028	1.0639	0.042*
H8B	0.7864	−0.3730	1.0631	0.042*
H8C	0.9597	−0.3554	1.2108	0.042*

	U11	U22	U33	U12	U13	U23
Sn1	0.01588 (14)	0.01489 (13)	0.01660 (13)	0.00076 (9)	0.00352 (10)	0.00175 (9)
Br1	0.0347 (2)	0.01817 (17)	0.01694 (16)	0.00364 (13)	0.01007 (14)	0.00342 (12)
Br2	0.02735 (19)	0.01599 (15)	0.01872 (16)	0.00594 (12)	0.00403 (13)	0.00333 (11)
Cl1	0.0347 (2)	0.01817 (17)	0.01694 (16)	0.00364 (13)	0.01007 (14)	0.00342 (12)
Cl2	0.02735 (19)	0.01599 (15)	0.01872 (16)	0.00594 (12)	0.00403 (13)	0.00333 (11)
N1	0.0196 (12)	0.0193 (11)	0.0212 (11)	0.0008 (9)	0.0039 (9)	0.0067 (9)
N2	0.0207 (13)	0.0257 (12)	0.0189 (11)	0.0001 (10)	0.0034 (9)	0.0049 (9)
C1	0.0208 (14)	0.0214 (13)	0.0237 (13)	0.0021 (11)	0.0068 (11)	0.0044 (11)
C2	0.0200 (14)	0.0206 (13)	0.0273 (14)	0.0007 (11)	0.0074 (12)	−0.0001 (11)
C3	0.0172 (14)	0.0259 (14)	0.0184 (12)	−0.0033 (11)	0.0060 (11)	−0.0008 (10)
C4	0.0112 (12)	0.0215 (13)	0.0183 (12)	−0.0013 (10)	0.0036 (10)	0.0055 (10)
C5	0.0176 (14)	0.0169 (12)	0.0214 (13)	−0.0027 (10)	0.0044 (11)	0.0010 (10)
C6	0.0204 (15)	0.0257 (14)	0.0182 (12)	−0.0034 (11)	0.0063 (11)	0.0010 (10)
C7	0.0287 (17)	0.0428 (18)	0.0203 (13)	0.0058 (14)	0.0037 (12)	0.0110 (13)
C8	0.0267 (16)	0.0253 (15)	0.0320 (15)	0.0027 (12)	0.0053 (13)	0.0095 (12)

Sn1—C1	2.131 (3)	C1—H1A	0.9800
Sn1—Br1	2.7240 (3)	C1—H1B	0.9800
Sn1—Br2	2.7234 (3)	C1—H1C	0.9800
N1—C6	1.342 (3)	C2—H2	0.9500
N1—C2	1.356 (3)	C3—H3	0.9500
N2—C4	1.338 (3)	C5—H5	0.9500
N2—C8	1.456 (4)	C6—H6	0.9500
N2—C7	1.460 (3)	C7—H7A	0.9800
C2—C3	1.354 (4)	C7—H7B	0.9800
C3—C4	1.421 (4)	C7—H7C	0.9800
C4—C5	1.419 (3)	C8—H8A	0.9800
C5—C6	1.353 (4)	C8—H8B	0.9800
N1—H1	0.8800	C8—H8C	0.9800
C1—Sn1—C1i	180.0	Sn1—C1—H1C	109.5
C1—Sn1—Br1	89.74 (7)	H1A—C1—H1C	109.5
C1—Sn1—Br1i	90.26 (7)	H1B—C1—H1C	109.5
Br1—Sn1—Br1i	180.0	C3—C2—H2	119.5
Br1—Sn1—Br2	88.54 (1)	N1—C2—H2	119.5
Br1—Sn1—Br2i	91.47 (1)	C2—C3—H3	119.7
Br2—Sn1—Br2i	180.0	C4—C3—H3	119.7
C6—N1—C2	120.5 (2)	C6—C5—H5	119.7
C4—N2—C8	121.9 (2)	C4—C5—H5	119.7
C4—N2—C7	120.5 (2)	N1—C6—H6	119.4
C8—N2—C7	117.6 (2)	C5—C6—H6	119.4
C3—C2—N1	120.9 (2)	N2—C7—H7A	109.5
C2—C3—C4	120.6 (2)	N2—C7—H7B	109.5
N2—C4—C5	122.2 (2)	H7A—C7—H7B	109.5
N2—C4—C3	121.8 (2)	N2—C7—H7C	109.5
C5—C4—C3	116.0 (2)	H7A—C7—H7C	109.5
C6—C5—C4	120.6 (2)	H7B—C7—H7C	109.5
N1—C6—C5	121.3 (2)	N2—C8—H8A	109.5
C6—N1—H1	119.7	N2—C8—H8B	109.5
C2—N1—H1	119.7	H8A—C8—H8B	109.5
Sn1—C1—H1A	109.5	N2—C8—H8C	109.5
Sn1—C1—H1B	109.5	H8A—C8—H8C	109.5
H1A—C1—H1B	109.5	H8B—C8—H8C	109.5
C6—N1—C2—C3	1.4 (4)	C2—C3—C4—N2	179.1 (3)
N1—C2—C3—C4	0.0 (4)	C2—C3—C4—C5	−1.5 (4)
C8—N2—C4—C5	0.5 (4)	N2—C4—C5—C6	−178.8 (3)
C7—N2—C4—C5	−179.4 (3)	C3—C4—C5—C6	1.7 (4)
C8—N2—C4—C3	179.9 (2)	C2—N1—C6—C5	−1.2 (4)
C7—N2—C4—C3	0.0 (4)	C4—C5—C6—N1	−0.4 (4)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···X1	0.88	2.61	3.325 (2)	139
N1—H1···X2	0.88	2.83	3.475 (2)	132

Sn1—C1	2.131 (3)
Sn1—Br1	2.7240 (3)
Sn1—Br2	2.7234 (3)

C1—Sn1—Br1	89.74 (7)
C1—Sn1—Br1i	90.26 (7)
Br1—Sn1—Br2	88.54 (1)
Br1—Sn1—Br2i	91.47 (1)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯X1	0.88	2.61	3.325 (2)	139
N1—H1⋯X2	0.88	2.83	3.475 (2)	132

Symmetry codes: .